Sodium ion → HCID 15725739, compound

HRID 157471Notes

Reaction equation

HRID 157471 reaction equation
[Br:31][CH2:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39].[CH2:54]([N+:55]([CH2:56][CH2:57][CH2:58][CH3:59])([CH2:60][CH2:61][CH2:62][CH3:63])[CH2:64][CH2:65][CH2:66][CH3:67])[CH2:68][CH2:69][CH3:70].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Na+:41].[OH-:40].[OH2:71].[S:49]([O-:50])([OH:51])(=[O:52])=[O:53].[c:1]1(-[c:7]2[n:8][n:9]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][OH:30])[c:10](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][n:9]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][O:30][CH2:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[c:10](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 16028TetrabutylammoniumHCID 61778Sulfate, hydrogenHCID 79177tert-Butyl bromoacetateHCID 15725738HCID 15725738, compound

Product 1

HCID 15725739HCID 15725739, compound

Sources & evidence

ORD record
ord-4d630322ffa64802929d213d26304d08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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